6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine dihydrochloride

• ChemBase ID: 51472
• Molecular Formular: C11H19Cl2N3O
• Molecular Mass: 280.19406
• Monoisotopic Mass: 279.0905176
• SMILES: N1(c2ncc(N)cc2)C[C@H](O[C@H](C1)C)C.Cl.Cl
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)N.Cl.Cl
• InChI: InChI=1S/C11H17N3O.2ClH/c1-8-6-14(7-9(2)15-8)11-4-3-10(12)5-13-11;;/h3-5,8-9H,6-7,12H2,1-2H3;2*1H/t8-,9+
• InChIKey: MGTAMNDBJSINTP-DRJPZDRJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine dihydrochloride
• Synonyms: 6-[cis-2,6-dimethylmorpholin-4-yl]pyridin-3-amine dihydrochloride; 6-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]pyridin-3-amine dihydrochloride

Database IDs

• CAS Number: 154179-39-2
• MDL Number: MFCD16622770
• PubChem SID: 162056235
• PubChem CID: 51072003

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.121957056
• LogD (pH = 7.4): 1.1439894
• Log P: 1.2437984
• Molar Refractivity: 61.2557 cm^3
• Polarizability: 22.721037 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239 °C; 237-239°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%